# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27616827
_cell_length_b   22.16391477
_cell_length_c   48.57782638
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al108 Ni180'
_cell_volume   7834.06704191
_cell_formula_units_Z   36
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Al  Al1  1  0.506639  0.751554  0.322070  1
  Al  Al2  1  0.503902  0.390508  0.293897  1
  Al  Al3  1  0.503471  0.097524  0.347149  1
  Al  Al4  1  0.775405  0.723096  0.286909  1
  Al  Al5  1  0.765351  0.421719  0.336767  1
  Al  Al6  1  0.766607  0.071887  0.308007  1
  Al  Al7  1  0.234375  0.722648  0.286932  1
  Al  Al8  1  0.242292  0.421734  0.336771  1
  Al  Al9  1  0.239910  0.068232  0.307664  1
  Al  Al10  1  0.010092  0.892112  0.295067  1
  Al  Al11  1  0.004259  0.597651  0.346965  1
  Al  Al12  1  0.003907  0.251099  0.322062  1
  Al  Al13  1  0.263796  0.923910  0.334767  1
  Al  Al14  1  0.268278  0.571483  0.307736  1
  Al  Al15  1  0.273586  0.222279  0.286957  1
  Al  Al16  1  0.741837  0.921589  0.337327  1
  Al  Al17  1  0.740130  0.571440  0.307734  1
  Al  Al18  1  0.733767  0.222020  0.287025  1
  Al  Al19  1  0.503320  0.800376  0.395136  1
  Al  Al20  1  0.503855  0.449904  0.371073  1
  Al  Al21  1  0.503535  0.152211  0.418461  1
  Al  Al22  1  0.768466  0.774308  0.359394  1
  Al  Al23  1  0.768161  0.477052  0.406432  1
  Al  Al24  1  0.769633  0.125296  0.382501  1
  Al  Al25  1  0.239540  0.773701  0.359619  1
  Al  Al26  1  0.239467  0.477035  0.406437  1
  Al  Al27  1  0.237251  0.125381  0.382511  1
  Al  Al28  1  0.004167  0.949892  0.371282  1
  Al  Al29  1  1.003728  0.652242  0.418350  1
  Al  Al30  1  1.003672  0.300238  0.395188  1
  Al  Al31  1  0.267758  0.976969  0.406588  1
  Al  Al32  1  0.270314  0.625354  0.382320  1
  Al  Al33  1  0.268275  0.273803  0.359453  1
  Al  Al34  1  0.738580  0.976997  0.406485  1
  Al  Al35  1  0.737652  0.625280  0.382352  1
  Al  Al36  1  0.738969  0.273888  0.359467  1
  Al  Al37  1  0.503560  0.855076  0.466324  1
  Al  Al38  1  0.503761  0.503939  0.442217  1
  Al  Al39  1  0.503572  0.206290  0.490237  1
  Al  Al40  1  0.768332  0.827716  0.430745  1
  Al  Al41  1  0.768376  0.530915  0.478025  1
  Al  Al42  1  0.768181  0.179232  0.454401  1
  Al  Al43  1  0.239057  0.827895  0.430579  1
  Al  Al44  1  0.239119  0.530936  0.478011  1
  Al  Al45  1  0.238938  0.179224  0.454402  1
  Al  Al46  1  1.003396  0.003852  0.442329  1
  Al  Al47  1  0.003769  0.706375  0.490169  1
  Al  Al48  1  1.003671  0.355072  0.466328  1
  Al  Al49  1  0.268169  0.030817  0.478149  1
  Al  Al50  1  0.268410  0.679271  0.454328  1
  Al  Al51  1  0.268369  0.327722  0.430744  1
  Al  Al52  1  0.738907  0.030794  0.478146  1
  Al  Al53  1  0.739149  0.679328  0.454305  1
  Al  Al54  1  0.738963  0.327710  0.430743  1
  Al  Al55  1  0.503640  0.909209  0.537802  1
  Al  Al56  1  0.503779  0.557936  0.513850  1
  Al  Al57  1  0.503410  0.260516  0.561687  1
  Al  Al58  1  0.768265  0.882165  0.502040  1
  Al  Al59  1  0.768346  0.584970  0.549704  1
  Al  Al60  1  0.768183  0.233368  0.525993  1
  Al  Al61  1  0.239018  0.882155  0.502055  1
  Al  Al62  1  0.239230  0.584909  0.549732  1
  Al  Al63  1  0.238931  0.233386  0.525997  1
  Al  Al64  1  1.003556  0.057803  0.513975  1
  Al  Al65  1  1.003731  0.760569  0.561697  1
  Al  Al66  1  1.003580  0.409299  0.537651  1
  Al  Al67  1  0.268095  0.084834  0.549813  1
  Al  Al68  1  0.268381  0.733454  0.525952  1
  Al  Al69  1  0.268266  0.382198  0.501985  1
  Al  Al70  1  0.738983  0.084841  0.549815  1
  Al  Al71  1  0.739087  0.733431  0.525967  1
  Al  Al72  1  0.739072  0.382208  0.501970  1
  Al  Al73  1  0.503620  0.963867  0.609205  1
  Al  Al74  1  0.503737  0.611852  0.585660  1
  Al  Al75  1  0.504434  0.314270  0.632573  1
  Al  Al76  1  0.768204  0.936350  0.573616  1
  Al  Al77  1  0.769934  0.638275  0.621409  1
  Al  Al78  1  0.767934  0.287561  0.597357  1
  Al  Al79  1  0.239047  0.936359  0.573617  1
  Al  Al80  1  0.238011  0.638424  0.621346  1
  Al  Al81  1  0.238526  0.287544  0.597471  1
  Al  Al82  1  1.003525  0.111817  0.585741  1
  Al  Al83  1  0.003824  0.814210  0.632574  1
  Al  Al84  1  1.003435  0.464051  0.609032  1
  Al  Al85  1  0.269426  0.138526  0.621523  1
  Al  Al86  1  0.268759  0.787567  0.597475  1
  Al  Al87  1  0.268383  0.436647  0.573272  1
  Al  Al88  1  0.737332  0.138503  0.621475  1
  Al  Al89  1  0.738794  0.787594  0.597465  1
  Al  Al90  1  0.739059  0.436461  0.573456  1
  Al  Al91  1  0.503939  0.014033  0.686817  1
  Al  Al92  1  0.504413  0.665921  0.656611  1
  Al  Al93  1  0.512038  0.371435  0.708059  1
  Al  Al94  1  0.765782  0.990821  0.644859  1
  Al  Al95  1  0.761415  0.695198  0.695369  1
  Al  Al96  1  0.763944  0.340272  0.668840  1
  Al  Al97  1  0.241249  0.990758  0.644849  1
  Al  Al98  1  0.246710  0.695222  0.695399  1
  Al  Al99  1  0.242087  0.342384  0.666273  1
  Al  Al100  1  1.003390  0.166148  0.656760  1
  Al  Al101  1  0.003812  0.869680  0.706458  1
  Al  Al102  1  0.009442  0.513893  0.686985  1
  Al  Al103  1  0.260682  0.192328  0.695473  1
  Al  Al104  1  0.263692  0.840004  0.668593  1
  Al  Al105  1  0.266527  0.490418  0.645049  1
  Al  Al106  1  0.745424  0.196435  0.695769  1
  Al  Al107  1  0.743855  0.839987  0.668603  1
  Al  Al108  1  0.741370  0.491075  0.644709  1
  Ni  Ni109  1  0.505919  0.893445  0.302963  1
  Ni  Ni110  1  0.504055  0.597166  0.345989  1
  Ni  Ni111  1  0.503385  0.247570  0.324302  1
  Ni  Ni112  1  0.753297  0.672978  0.335098  1
  Ni  Ni113  1  0.749851  0.322691  0.312443  1
  Ni  Ni114  1  0.747353  0.965450  0.292050  1
  Ni  Ni115  1  0.255586  0.673239  0.335053  1
  Ni  Ni116  1  0.257640  0.322791  0.312431  1
  Ni  Ni117  1  0.251828  0.024890  0.358367  1
  Ni  Ni118  1  0.502203  0.846848  0.348715  1
  Ni  Ni119  1  0.503963  0.492705  0.323030  1
  Ni  Ni120  1  0.502203  0.145597  0.302482  1
  Ni  Ni121  1  0.504540  0.651706  0.301534  1
  Ni  Ni122  1  0.503720  0.351092  0.346360  1
  Ni  Ni123  1  0.504550  0.999005  0.323142  1
  Ni  Ni124  1  0.003852  0.747816  0.324332  1
  Ni  Ni125  1  0.003765  0.393338  0.302677  1
  Ni  Ni126  1  1.003275  0.097254  0.346306  1
  Ni  Ni127  1  0.250999  0.821501  0.313028  1
  Ni  Ni128  1  0.243697  0.465994  0.291332  1
  Ni  Ni129  1  0.252454  0.172303  0.335135  1
  Ni  Ni130  1  0.760037  0.823909  0.312315  1
  Ni  Ni131  1  0.764081  0.466003  0.291325  1
  Ni  Ni132  1  0.754829  0.172907  0.335177  1
  Ni  Ni133  1  0.004264  0.645689  0.302258  1
  Ni  Ni134  1  0.003764  0.346442  0.348685  1
  Ni  Ni135  1  0.999922  0.993638  0.323772  1
  Ni  Ni136  1  0.004871  0.851207  0.346608  1
  Ni  Ni137  1  0.003952  0.499132  0.323268  1
  Ni  Ni138  1  0.005808  0.150786  0.301773  1
  Ni  Ni139  1  0.501504  0.950271  0.371013  1
  Ni  Ni140  1  0.503939  0.652509  0.418309  1
  Ni  Ni141  1  0.503639  0.300574  0.394935  1
  Ni  Ni142  1  0.753734  0.726347  0.406614  1
  Ni  Ni143  1  0.752926  0.374823  0.383421  1
  Ni  Ni144  1  0.754225  0.024596  0.358012  1
  Ni  Ni145  1  0.253917  0.726162  0.406708  1
  Ni  Ni146  1  0.254572  0.374803  0.383413  1
  Ni  Ni147  1  0.253377  0.078156  0.430378  1
  Ni  Ni148  1  0.503067  0.900434  0.418971  1
  Ni  Ni149  1  0.503853  0.549236  0.394699  1
  Ni  Ni150  1  0.503549  0.197073  0.371047  1
  Ni  Ni151  1  0.504378  0.701916  0.369479  1
  Ni  Ni152  1  0.503725  0.404219  0.418416  1
  Ni  Ni153  1  0.503398  0.053098  0.394219  1
  Ni  Ni154  1  0.004063  0.800800  0.394884  1
  Ni  Ni155  1  0.003831  0.450258  0.371130  1
  Ni  Ni156  1  1.003503  0.152459  0.418421  1
  Ni  Ni157  1  0.253090  0.875483  0.382770  1
  Ni  Ni158  1  0.255839  0.524656  0.357847  1
  Ni  Ni159  1  0.253482  0.226238  0.406730  1
  Ni  Ni160  1  0.754026  0.874895  0.383576  1
  Ni  Ni161  1  0.752134  0.524677  0.357839  1
  Ni  Ni162  1  0.753714  0.226216  0.406715  1
  Ni  Ni163  1  1.003625  0.697183  0.370989  1
  Ni  Ni164  1  1.003747  0.400422  0.419001  1
  Ni  Ni165  1  1.003167  0.049210  0.394845  1
  Ni  Ni166  1  0.003845  0.904216  0.418450  1
  Ni  Ni167  1  0.003919  0.553156  0.394052  1
  Ni  Ni168  1  1.003626  0.201864  0.369554  1
  Ni  Ni169  1  0.503479  0.003805  0.442355  1
  Ni  Ni170  1  0.503709  0.706342  0.490181  1
  Ni  Ni171  1  0.503663  0.355036  0.466338  1
  Ni  Ni172  1  0.753752  0.780630  0.478320  1
  Ni  Ni173  1  0.753808  0.429521  0.454230  1
  Ni  Ni174  1  0.753528  0.078151  0.430390  1
  Ni  Ni175  1  0.253623  0.780669  0.478266  1
  Ni  Ni176  1  0.253637  0.429519  0.454239  1
  Ni  Ni177  1  0.253556  0.132050  0.502109  1
  Ni  Ni178  1  0.503590  0.954559  0.490447  1
  Ni  Ni179  1  0.503809  0.603196  0.466475  1
  Ni  Ni180  1  0.503622  0.251429  0.442893  1
  Ni  Ni181  1  0.503674  0.755455  0.442280  1
  Ni  Ni182  1  0.503722  0.458537  0.489599  1
  Ni  Ni183  1  0.503533  0.107044  0.465883  1
  Ni  Ni184  1  1.003740  0.855013  0.466345  1
  Ni  Ni185  1  0.003782  0.503885  0.442235  1
  Ni  Ni186  1  1.003577  0.206260  0.490245  1
  Ni  Ni187  1  0.253624  0.929468  0.454340  1
  Ni  Ni188  1  0.253870  0.578253  0.430243  1
  Ni  Ni189  1  0.253680  0.280591  0.478341  1
  Ni  Ni190  1  0.753427  0.929449  0.454281  1
  Ni  Ni191  1  0.753761  0.578223  0.430262  1
  Ni  Ni192  1  0.753549  0.280593  0.478344  1
  Ni  Ni193  1  0.003856  0.751493  0.442819  1
  Ni  Ni194  1  1.003703  0.454679  0.490322  1
  Ni  Ni195  1  1.003530  0.103101  0.466589  1
  Ni  Ni196  1  1.003564  0.958447  0.489711  1
  Ni  Ni197  1  1.003742  0.607151  0.465775  1
  Ni  Ni198  1  1.003597  0.255393  0.442345  1
  Ni  Ni199  1  0.503565  0.057832  0.513963  1
  Ni  Ni200  1  0.503766  0.760543  0.561704  1
  Ni  Ni201  1  0.503778  0.409347  0.537654  1
  Ni  Ni202  1  0.753603  0.834910  0.549752  1
  Ni  Ni203  1  0.753627  0.483669  0.525735  1
  Ni  Ni204  1  0.753547  0.132041  0.502105  1
  Ni  Ni205  1  0.253786  0.834904  0.549763  1
  Ni  Ni206  1  0.253785  0.483709  0.525677  1
  Ni  Ni207  1  0.253390  0.186076  0.573716  1
  Ni  Ni208  1  0.503572  0.008644  0.561916  1
  Ni  Ni209  1  0.503739  0.657163  0.538236  1
  Ni  Ni210  1  0.503588  0.305858  0.514356  1
  Ni  Ni211  1  0.503686  0.809726  0.513657  1
  Ni  Ni212  1  0.503869  0.512754  0.561221  1
  Ni  Ni213  1  0.503524  0.161013  0.537600  1
  Ni  Ni214  1  1.003635  0.909276  0.537794  1
  Ni  Ni215  1  1.003719  0.557970  0.513842  1
  Ni  Ni216  1  1.003531  0.260517  0.561701  1
  Ni  Ni217  1  0.253505  0.983537  0.525872  1
  Ni  Ni218  1  0.253740  0.632136  0.502028  1
  Ni  Ni219  1  0.253476  0.334931  0.549718  1
  Ni  Ni220  1  0.753676  0.983538  0.525875  1
  Ni  Ni221  1  0.753760  0.632164  0.502009  1
  Ni  Ni222  1  0.753653  0.334913  0.549659  1
  Ni  Ni223  1  1.003696  0.805855  0.514369  1
  Ni  Ni224  1  1.003701  0.508753  0.561763  1
  Ni  Ni225  1  1.003539  0.157090  0.538303  1
  Ni  Ni226  1  1.003583  0.012593  0.561365  1
  Ni  Ni227  1  0.003806  0.661120  0.537534  1
  Ni  Ni228  1  1.003619  0.309678  0.513652  1
  Ni  Ni229  1  0.503447  0.111624  0.585697  1
  Ni  Ni230  1  0.503776  0.814845  0.633153  1
  Ni  Ni231  1  0.503939  0.463652  0.609256  1
  Ni  Ni232  1  0.753285  0.889102  0.621438  1
  Ni  Ni233  1  0.754292  0.537873  0.597392  1
  Ni  Ni234  1  0.753530  0.186078  0.573717  1
  Ni  Ni235  1  0.254099  0.889096  0.621427  1
  Ni  Ni236  1  0.253388  0.537687  0.597521  1
  Ni  Ni237  1  0.253443  0.239572  0.645662  1
  Ni  Ni238  1  0.503446  0.061875  0.635257  1
  Ni  Ni239  1  0.503916  0.711280  0.609730  1
  Ni  Ni240  1  0.503908  0.360274  0.585576  1
  Ni  Ni241  1  0.503699  0.864065  0.585183  1
  Ni  Ni242  1  0.503541  0.566447  0.633093  1
  Ni  Ni243  1  0.503145  0.214998  0.608954  1
  Ni  Ni244  1  1.003566  0.963422  0.609408  1
  Ni  Ni245  1  0.003933  0.611637  0.585614  1
  Ni  Ni246  1  1.001473  0.314826  0.632829  1
  Ni  Ni247  1  0.253987  0.037791  0.597547  1
  Ni  Ni248  1  0.253858  0.686164  0.573656  1
  Ni  Ni249  1  0.253818  0.389922  0.620480  1
  Ni  Ni250  1  0.753118  0.037785  0.597542  1
  Ni  Ni251  1  0.753753  0.686124  0.573685  1
  Ni  Ni252  1  0.753747  0.389335  0.621314  1
  Ni  Ni253  1  1.003688  0.860200  0.585735  1
  Ni  Ni254  1  0.004549  0.561638  0.635246  1
  Ni  Ni255  1  1.003461  0.211261  0.609765  1
  Ni  Ni256  1  1.003584  0.066523  0.633172  1
  Ni  Ni257  1  0.003788  0.714994  0.608911  1
  Ni  Ni258  1  1.003154  0.364138  0.584977  1
  Ni  Ni259  1  0.503090  0.167670  0.656924  1
  Ni  Ni260  1  0.503650  0.869785  0.700452  1
  Ni  Ni261  1  0.503150  0.515457  0.680088  1
  Ni  Ni262  1  0.759621  0.941409  0.690302  1
  Ni  Ni263  1  0.756787  0.590412  0.669145  1
  Ni  Ni264  1  0.752850  0.239325  0.645323  1
  Ni  Ni265  1  0.247659  0.941512  0.690283  1
  Ni  Ni266  1  0.252232  0.591093  0.668993  1
  Ni  Ni267  1  0.248854  0.298879  0.711582  1
  Ni  Ni268  1  0.506946  0.117904  0.701060  1
  Ni  Ni269  1  0.503883  0.765267  0.680100  1
  Ni  Ni270  1  0.505157  0.413097  0.656917  1
  Ni  Ni271  1  0.503680  0.918905  0.655878  1
  Ni  Ni272  1  0.504509  0.614107  0.700767  1
  Ni  Ni273  1  0.500157  0.269705  0.680026  1
  Ni  Ni274  1  1.003113  0.015427  0.680097  1
  Ni  Ni275  1  0.003826  0.667284  0.656615  1
  Ni  Ni276  1  0.005977  0.370007  0.700566  1
  Ni  Ni277  1  0.255836  0.090209  0.669209  1
  Ni  Ni278  1  0.254010  0.739198  0.645263  1
  Ni  Ni279  1  0.261809  0.439305  0.690857  1
  Ni  Ni280  1  0.751304  0.090901  0.669024  1
  Ni  Ni281  1  0.753884  0.739270  0.645237  1
  Ni  Ni282  1  0.750743  0.442846  0.690158  1
  Ni  Ni283  1  1.003631  0.913135  0.656736  1
  Ni  Ni284  1  0.003962  0.618078  0.700794  1
  Ni  Ni285  1  0.005141  0.265537  0.680384  1
  Ni  Ni286  1  1.001001  0.114220  0.700906  1
  Ni  Ni287  1  0.003951  0.768436  0.679387  1
  Ni  Ni288  1  1.002926  0.419375  0.655766  1
